N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)

C39H24N4O3Pt — CID 153431860

About N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)

N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+) (PubChem CID 153431860) has the molecular formula C39H24N4O3Pt and a molecular weight of 791.72 g/mol. Its IUPAC name is N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)
• PubChem CID: 153431860
• Molecular Formula: C39H24N4O3Pt
• Molecular Weight: 791.72 g/mol
• Exact Mass: 791.15
• IUPAC Name: N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)
• SMILES: Cn1ccc(-c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)cc4c3oc3ccccc34)cc3oc4ccccc4c23)n1.[Pt+2]
• InChI: InChI=1S/C39H24N4O3.Pt/c1-42-20-18-32(41-42)31-23-27(24-35-38(31)29-14-6-8-16-34(29)45-35)44-36-22-26(21-30-28-13-5-7-15-33(28)46-39(30)36)43(25-11-3-2-4-12-25)37-17-9-10-19-40-37;/h2-21,24H,1H3;/q-2;+2
• InChIKey: UOKXBNOBKHJOBM-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 69.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.72
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The IUPAC name of N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+) (CID 153431860) is N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+).

What is the SMILES notation for N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The canonical SMILES for N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+) is Cn1ccc(-c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)cc4c3oc3ccccc34)cc3oc4ccccc4c23)n1.[Pt+2].

What is the InChIKey of N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)?

The InChIKey is UOKXBNOBKHJOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O3.Pt/c1-42-20-18-32(41-42)31-23-27(24-35-38(31)29-14-6-8-16-34(29)45-35)44-36-22-26(21-30-28-13-5-7-15-33(28)46-39(30)36)43(25-11-3-2-4-12-25)37-17-9-10-19-40-37;/h2-21,24H,1H3;/q-2;+2.

What are the key properties of N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)?

N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+) has a molecular weight of 791.72 g/mol, XLogP of 10.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153431860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).